Geometry & MOs

Info

ID:	349064
PubChem CID:	127274790
Reduced:	S2O3N5C15H19 (1)
Stoich.:	A2B3C5D15E19 (1)
Weight, g/mol:	350.1334
ΔH_f, kcal/mol:	-60.26
Dipole, Da:	4.76
IP(EA), eV:	-9.44(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylsulfonylpiperidin-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)CC2=CSC(=N2)C3=NC=CN=C3

DOS

IR

Vibrations